CID 83083873

1909319-21-6

Structural Information

Molecular Formula
C8H5BrN2O2
SMILES
C1=CC2=C(C=C1Br)C(=O)N(C2=O)N
InChI
InChI=1S/C8H5BrN2O2/c9-4-1-2-5-6(3-4)8(13)11(10)7(5)12/h1-3H,10H2
InChIKey
WXBRFZCZYQWVKL-UHFFFAOYSA-N
Compound name
2-amino-5-bromoisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.95345 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.96073 140.9
[M+Na]+ 262.94267 155.1
[M-H]- 238.94617 147.3
[M+NH4]+ 257.98727 163.6
[M+K]+ 278.91661 143.5
[M+H-H2O]+ 222.95071 140.9
[M+HCOO]- 284.95165 162.3
[M+CH3COO]- 298.96730 190.0
[M+Na-2H]- 260.92812 146.9
[M]+ 239.95290 158.9
[M]- 239.95400 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.